JP6051988B2 - Information processing program, information processing method, and information processing apparatus - Google Patents

Description

  The present invention relates to an information processing program, an information processing method, and an information processing apparatus.

  Conventionally, when image information of a structural formula of a compound is provided via a network such as the Internet, structural information (for example, a MOL file) indicating attributes of atomic symbols and bond symbols included in the structural formula is image information. Often provided as separate data.

  As a related technique, for example, an arrangement in a two-dimensional plane of a compound determined to be a recursive nested structure based on a plurality of hierarchical clusters in which the compound is classified based on the first property information, There is a technique for drawing a compound with a color based on second characteristic information. In addition, there is a character graphic recognition technique for analyzing a chemical structure diagram composed of atoms and bonding states through character / connection line attribute recognition from an image.

JP 2006-318048 A JP 62-169290 A

  However, in the above-described prior art, when the image information and the structure information of the structural formula of the compound are provided as separate data, the user associates the image information and the structure information provided as separate data with each other. As a result, the burden on the user's management work increases. Further, if there is no structural information corresponding to the image information, it may be difficult for the user to grasp the chemical properties of the structural formula.

  In one aspect, an object of the present invention is to specify an attribute of an atom or a bond between atoms included in the structural formula from image information of the structural formula of the compound.

  According to one aspect of the present invention, an attribute of an atomic symbol indicating an atom included in a structural formula of a compound drawn in the drawing area and an attribute of a bond symbol indicating a bond between atoms included in the structural formula are included. Acquire structural information, refer to the acquired structural information, specify the attribute of either the atomic symbol or bond symbol selected from the structural formula, refer to the structural information, and place it on the drawing area The pixel information of any pixel in the pixel group representing the symbol included in the image information of the structural formula to be drawn is specified, and according to the specified attribute type in the bit string indicating the pixel information of the specified pixel An information processing program, an information processing method, and an information processing apparatus for changing the value of a bit at a position to a value indicating a specified attribute are proposed.

  Further, according to one aspect of the present invention, any one of the pixel groups indicating either the atomic symbol or the bond symbol included in the structural formula from the image information of the structural formula of the compound drawn on the drawing area. Pixel information in which the value of the bit at the position corresponding to the attribute of the symbol in the bit string indicating the pixel information is changed to a value indicating the attribute, and the extracted pixel information is An information processing program, an information processing method, and an information processing apparatus for specifying a symbol attribute based on a bit value at a position corresponding to an attribute in a bit string to be shown are proposed.

  According to one embodiment of the present invention, there is an effect that an attribute of an atom included in the structural formula or an attribute of a bond between atoms can be specified from image information of the structural formula of the compound.

FIG. 1 is an explanatory diagram of an example of the information processing apparatus 100 according to the embodiment. FIG. 2 is a block diagram of a hardware configuration example of the information processing apparatus 100 according to the embodiment. FIG. 3 is an explanatory diagram showing an example of the stored contents of the atomic symbol / attribute correspondence information table 300. FIG. 4 is an explanatory diagram showing an example of the stored contents of the combined symbol / attribute correspondence information table 400. FIG. 5 is a block diagram illustrating a functional configuration of the information processing apparatus 100. FIG. 6 is an explanatory diagram (part 1) of a specific example of the first operation. FIG. 7 is an explanatory diagram (part 2) illustrating a specific example of the first operation. FIG. 8 is an explanatory diagram (part 3) illustrating a specific example of the first operation. FIG. 9 is an explanatory diagram (part 4) illustrating a specific example of the first operation. FIG. 10 is an explanatory diagram (part 5) illustrating a specific example of the first operation. FIG. 11 is an explanatory diagram (part 6) illustrating a specific example of the first operation. FIG. 12 is an explanatory diagram (part 7) illustrating a specific example of the first operation. FIG. 13 is an explanatory diagram (part 8) illustrating a specific example of the first operation. FIG. 14 is an explanatory diagram (No. 9) illustrating a specific example of the first operation. FIG. 15 is an explanatory diagram (part 10) illustrating a specific example of the first operation. FIG. 16 is an explanatory diagram (part 11) illustrating a specific example of the first operation. FIG. 17 is an explanatory diagram (part 12) illustrating a specific example of the first operation. FIG. 18 is an explanatory diagram (part 13) illustrating a specific example of the first operation. FIG. 19 is a flowchart illustrating an example of an attribute value storage processing procedure. FIG. 20 is a flowchart illustrating an example of a structural image creation processing procedure. FIG. 21 is a flowchart illustrating an example of a pixel extraction processing procedure. FIG. 22 is a flowchart illustrating an example of the recursive processing procedure. FIG. 23 is a flowchart illustrating an example of the structure information embedding processing procedure. FIG. 24 is an explanatory diagram (part 1) illustrating a specific example of the second operation. FIG. 25 is an explanatory diagram (part 2) illustrating a specific example of the second operation. FIG. 26 is a flowchart illustrating an example of the structure information output processing procedure.

  Hereinafter, embodiments of an information processing program, an information processing method, and an information processing apparatus according to the present invention will be described in detail with reference to the accompanying drawings.

(One Example of Information Processing Apparatus 100 According to Embodiment)
FIG. 1 is an explanatory diagram of an example of the information processing apparatus 100 according to the embodiment. The information processing apparatus 100, for example, image information indicating an image 110 in which the structural formula 111 is drawn on the drawing area by using the value indicating the attribute of the atomic symbol and the value indicating the attribute of the bond symbol included in the structural formula 111 of the compound. It is a computer that is embedded inside. In the following description, an operation performed by the information processing apparatus 100 to embed a value indicating the attribute of the atomic symbol and a value indicating the attribute of the bond symbol in the image information indicating the image 110 in which the structural formula 111 is drawn on the drawing area. May be referred to as “first operation”.

  Here, the atomic symbol is, for example, a symbol indicating an atom in the compound. An example of an atomic symbol is the symbol “C” indicating a carbon atom. The attribute of the atomic symbol includes, for example, type information indicating the symbol type of the atomic symbol, an atomic ID (Identification) assigned to each atomic symbol included in the structural formula 111, an atomic number value, and the structural formula 111. A value indicating the position of an atomic symbol, a charge value, and the like. The bond symbol is, for example, a symbol indicating a bond between atoms in a compound. The attribute of the bond symbol includes, for example, type information indicating the symbol type of the bond symbol, atom IDs of two atoms to be bonded, a value indicating the bond type of the bond symbol, and a value indicating the solid type of the bond symbol. .

  In addition, the information processing apparatus 100, for example, displays the value indicating the attribute of the atomic symbol and the value indicating the attribute of the bond symbol embedded in the image information indicating the image 110 in which the structural formula 111 is drawn on the drawing area. A computer that extracts information. In the following description, the value indicating the attribute of the atomic symbol and the value indicating the attribute of the bond symbol embedded in the image information indicating the image 110 in which the structural formula 111 performed by the information processing apparatus 100 is drawn on the drawing area will be described. The operation extracted from the image information may be referred to as “second operation”.

<First operation>
Here, an example of the first operation performed by the information processing apparatus 100 will be described. Here, in the example of FIG. 1, the image 110 is shown at the top, and an enlarged view of the central portion of the image 110 is shown at the bottom.

  For example, the information processing apparatus 100 identifies a pixel representing a part of the atomic symbol “C” in the image 110. Next, the information processing apparatus 100 changes the value of the bit at a predetermined position in the bit string indicating the pixel information of the specified pixel to a value indicating the attribute of the atomic symbol “C”. In the following description, a value indicating an attribute may be referred to as an “attribute value”. Here, the pixel information is, for example, a 24-bit bit string indicating RGB values. The attribute is, for example, symbol type information, and is type information indicating either an atomic symbol or a bond symbol. The attribute value is, for example, a value “1” indicating the type information “atomic symbol”.

  Specifically, the information processing apparatus 100 specifies a pixel 112 that represents a part of the atomic symbol “C” in the image 110. Next, the information processing apparatus 100 converts the value of the bit at the predetermined position “first bit” in the bit string “000000000000000000000000” indicating the pixel information of the identified pixel 112 to the attribute “atomic symbol” of the atomic symbol “C”. Is changed to a value “1” indicating “”. As a result, the specified pixel 112 has a color different from the text color “black” and the background color “white”. Further, the information processing apparatus 100 performs the same processing for other atomic symbols and bond symbols.

  Thereby, the information processing apparatus 100 can embed the attribute value of the atomic symbol and the attribute value of the bond symbol in the image information. For this reason, the user of the information processing apparatus 100 does not have to separately manage the image information and the structural information indicating the attribute of the atomic symbol and the attribute of the bond symbol, thereby reducing the amount of work required for the management. be able to. Details of the first operation performed by the information processing apparatus 100 will be described later with reference to FIGS.

  Here, the information processing apparatus 100 changes the value of the bit at a predetermined position in the bit string indicating the pixel information of one pixel to the attribute value, but is not limited thereto. For example, when the attribute value is expressed by a plurality of bits, the information processing apparatus 100 sets the value of a bit at a predetermined position in a bit string indicating pixel information of a pixel corresponding to each bit of the plurality of bits, You may change to the value of each bit.

<Second operation>
Next, an example of the second operation performed by the information processing apparatus 100 will be described. For example, the information processing apparatus 100 identifies pixels that show different colors from the text color “black” and the background color “white” from the image information, and extracts pixel information of the identified pixels. Next, the information processing apparatus 100 extracts an attribute value from the value of the bit at a predetermined position in the bit string indicating the pixel information of the extracted pixel, and determines the attribute of the symbol represented by the pixel group including the specified pixel. Identify.

  Specifically, the information processing apparatus 100 specifies a pixel 112 that shows a color different from the character color and the background color in the image 110. Next, the information processing apparatus 100 extracts the value “1” at the predetermined position “first bit” from the bit string “000000000000000000000000” indicating the pixel information of the identified pixel 112. Then, the information processing apparatus 100 specifies the attribute “atomic symbol” indicated by the extracted value “1” as the attribute of the symbol represented by the pixel group including the specified pixel 112. In addition, the information processing apparatus 100 performs the same process for other pixels that exhibit colors different from the character color and the background color.

  As a result, the information processing apparatus 100 can specify the attribute of the atomic symbol and the attribute of the bond symbol from the image information, and can output the attribute of the specified atomic symbol and the attribute of the bond symbol. For this reason, the user of the information processing apparatus 100 can grasp the structure information indicating the attribute of the atomic symbol and the attribute of the bond symbol. Details of the second operation performed by the information processing apparatus 100 will be described later with reference to FIGS. 24 and 25.

  Here, the information processing apparatus 100 is a computer that performs the first operation and the second operation, but is not limited thereto. For example, the information processing apparatus 100 may be a computer that performs only the first operation, or may be a computer that performs only the second operation.

(Hardware configuration example of information processing apparatus 100)
FIG. 2 is a block diagram of a hardware configuration example of the information processing apparatus 100 according to the embodiment. In FIG. 2, the information processing apparatus 100 includes a CPU (Central Processing Unit) 201, a ROM (Read Only Memory) 202, a RAM (Random Access Memory) 203, a magnetic disk drive (Hard Disk Drive) 204, and a magnetic disk. 205, an optical disk drive 206, an optical disk 207, a display 208, an interface (I / F: Interface) 209, a keyboard 210, a mouse 211, a scanner 212, and a printer 213. Each component is connected by a bus 200.

  Here, the CPU 201 governs overall control of the information processing apparatus 100. The ROM 202 stores a program such as a boot program. The ROM 202 stores, for example, an atomic symbol / attribute correspondence information table 300 described later in FIG. 3 and a combined symbol / attribute correspondence information table 400 described later in FIG.

  The RAM 203 is used as a work area for the CPU 201. The magnetic disk drive 204 controls reading / writing of data with respect to the magnetic disk 205 according to the control of the CPU 201. The magnetic disk 205 stores data written under the control of the magnetic disk drive 204.

  The optical disk drive 206 controls reading / writing of data with respect to the optical disk 207 according to the control of the CPU 201. The optical disk 207 stores data written under the control of the optical disk drive 206, or causes the computer to read data stored on the optical disk 207.

  The display 208 displays data such as a document, an image, and function information as well as a cursor, an icon, or a tool box. As this display 208, for example, a liquid crystal display, a plasma display, or the like can be adopted.

  The I / F 209 is connected to a network 214 such as a LAN (Local Area Network), a WAN (Wide Area Network), and the Internet through a communication line, and is connected to other devices via the network 214. The I / F 209 controls an internal interface with the network 214 and controls data input / output from an external device. For example, a modem or a LAN adapter may be employed as the I / F 209.

  The keyboard 210 includes keys for inputting characters, numbers, various instructions, and the like, and inputs data. Moreover, a touch panel type input pad or a numeric keypad may be used. The mouse 211 performs cursor movement, range selection, window movement, size change, and the like. A trackball or a joystick may be used as long as they have the same function as a pointing device.

  The scanner 212 optically reads an image and takes in image data into the information processing apparatus 100. The scanner 212 may have an OCR (Optical Character Reader) function. The printer 213 prints image data and document data. As the printer 213, for example, a laser printer or an ink jet printer can be adopted. Note that at least one of the optical disk drive 206, the optical disk 207, the display 208, the keyboard 210, the mouse 211, the scanner 212, and the printer 213 may be omitted.

(Atomic symbol-attribute correspondence information table 300)
Next, an example of the contents stored in the atomic symbol / attribute correspondence information table 300 will be described with reference to FIG. The atomic symbol-attribute correspondence information table 300 is realized by storage areas such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 shown in FIG.

  FIG. 3 is an explanatory diagram showing an example of the stored contents of the atomic symbol / attribute correspondence information table 300. As shown in FIG. 3, the atomic symbol-attribute correspondence information table 300 includes a type item, an attribute item, an attribute value item, and a corresponding bit item, and each item for each attribute type of the atomic symbol. The value is stored as a record.

  In the type item, the attribute type of the atomic symbol is stored. The attribute type of the atomic symbol is, for example, a symbol type, an atom ID, an atomic number, an X coordinate value, a Y coordinate value, and an electric charge. In the attribute item, an attribute of an atomic symbol is stored. The attributes are, for example, “atom symbol” and “bond symbol” when the attribute type is “symbol type”. The attribute is, for example, a value “1 to 118” indicating an atomic number when the attribute type is “atomic number”. The attribute is, for example, a value “0 to 8” indicating charge when the attribute type is “charge”.

  A value indicating an attribute is stored in the attribute value item. The attribute value is, for example, a bit string “0000001” indicating the type information “atomic symbol”. The attribute value is, for example, a bit string “00000000000001” indicating the atomic number “1”. The corresponding bit item stores the position of the bit to be changed to the attribute value in the bit string indicating the pixel information. The bit position is, for example, the “first bit” in the bit string indicating the pixel information when the attribute value is changed to the attribute value of the attribute type “symbol type”. The bit position is, for example, “the second and third bits” in the bit string indicating the pixel information when the attribute value is changed to the attribute value of the attribute type “atom ID”.

(Combined symbol-attribute correspondence information table 400)
Next, an example of the contents stored in the combined symbol / attribute correspondence information table 400 will be described with reference to FIG. The combined symbol / attribute correspondence information table 400 is realized by storage areas such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 shown in FIG.

  FIG. 4 is an explanatory diagram showing an example of the stored contents of the combined symbol / attribute correspondence information table 400. As shown in FIG. 4, the combined symbol / attribute correspondence information table 400 includes a type item, an attribute item, an attribute value item, and a corresponding bit item, and each item is classified for each attribute type of the combined symbol. The value is stored as a record.

  In the type item, the type of attribute of the combined symbol is stored. The attribute type of the bond symbol is, for example, a symbol type, a first atom ID, a second atom ID, a bond type, and a solid type. In the attribute item, an attribute of the combination symbol is stored. The attributes are, for example, “atom symbol” and “bond symbol” when the attribute type is “symbol type”. The attribute is, for example, “single bond”, “double bond”, “triple bond”, and “aromatic ring bond” when the attribute type is “bond type”. The attribute is, for example, “none”, “up”, “up or down”, and “down” when the type of the attribute is “solid type”.

  A value indicating an attribute is stored in the attribute value item. The attribute value is, for example, a bit string “0000010” indicating the type information “joining symbol”. Further, the attribute value is, for example, a bit string “00000000000001” indicating a coupling type “single coupling”. The corresponding bit item stores the position of the bit to be changed to the attribute value in the bit string indicating the pixel information. The bit position is, for example, the “first bit” in the bit string indicating the pixel information when the attribute value is changed to the attribute value of the attribute type “symbol type”. The bit position is, for example, the “19th bit” in the bit string indicating the pixel information when the attribute value is changed to the attribute value of the attribute type “join type”.

(Functional configuration example of information processing apparatus 100)
Next, a functional configuration example of the information processing apparatus 100 will be described with reference to FIG.

  FIG. 5 is a block diagram illustrating a functional configuration of the information processing apparatus 100. The information processing apparatus 100 includes an acquisition unit 501, a first specification unit 502, a second specification unit 503, a first change unit 504, a second change unit 505, an extraction unit 506, and a third The specifying unit 507 is included.

<First operation>
First, a functional unit that realizes the first operation will be described. The first operation is realized by the acquisition unit 501, the first specification unit 502, the second specification unit 503, the first change unit 504, and the second change unit 505.

  The acquisition unit 501 includes structural information including an attribute of an atomic symbol indicating an atom included in the structural formula 111 of the compound drawn in the drawing area and an attribute of a bond symbol indicating a bond between atoms included in the structural formula 111. To get. For example, the acquisition unit 501 acquires structural information indicating the attribute of the atomic symbol and the attribute of the bond symbol included in the structural formula 111 of the compound “CH3-CHO (acetaldehyde)” drawn in the drawing region.

  Thereby, the first specifying unit 502 can specify the attribute of the atomic symbol and the attribute of the bond symbol included in the structural formula 111 with reference to the structure information acquired by the acquiring unit 501. The acquired data is stored in a storage area such as the RAM 203, the magnetic disk 205, and the optical disk 207, for example. The acquisition unit 501 realizes its function by causing the CPU 201 to execute a program stored in a storage device such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 illustrated in FIG. 2 or by the I / F 209, for example. To do.

  The first specifying unit 502 specifies the attribute of either the atomic symbol or the bond symbol selected from the structural formula 111 with reference to the acquired structural information. For example, the first specifying unit 502 selects the atomic symbol “C” from the structural formula 111, refers to the structure information, and sets the type information “atomic symbol” or the X coordinate as the attribute of the atomic symbol “C”. A value “30”, a Y coordinate value “57”, and a charge value “0” are specified. Similarly, the first specifying unit 502 sequentially selects one of unselected atomic symbols or bond symbols from the structural formula 111 to specify the attribute of the selected symbol.

  Thereby, the first changing unit 504 can generate an attribute value from the attribute specified by the first specifying unit 502. The identified data is stored in a storage area such as the RAM 203, the magnetic disk 205, and the optical disk 207, for example. The first specifying unit 502 realizes its function by causing the CPU 201 to execute a program stored in a storage device such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 shown in FIG.

  The second specifying unit 503 specifies the pixel information of any pixel in the pixel group representing the symbol included in the image information of the structural formula 111 drawn on the drawing area with reference to the structure information. For example, the second specifying unit 503 specifies the pixel group representing the atomic symbol “C” by referring to the X coordinate value or the Y coordinate value of the atomic symbol “C” included in the compound structure information file. The pixel information of any pixel in the pixel group is specified.

  Further, the second specifying unit 503 may specify pixel information of a pixel corresponding to each bit of the plurality of bits in the pixel group representing the symbol when the attribute value is expressed by a plurality of bits. Good. For example, the second specifying unit 503 specifies a pixel group representing the atomic symbol “C” with reference to the X coordinate value and the Y coordinate value of the atomic symbol “C” included in the structure information. Next, the second specifying unit 503 specifies the attribute value “0000001” indicating the type information “atomic symbol” with reference to the atomic symbol-attribute correspondence information table 300.

  Then, since the type information “atomic symbol” is expressed by a plurality of bits, the second specifying unit 503 includes seven pixels corresponding to each bit in the pixel group indicating the specified atomic symbol “C”. Specify pixel information. In the following description, each bit of the attribute value “0000001” indicating the type information “atomic symbol” may be expressed as “first to seventh bits”. In the following description, pixel information of pixels corresponding to each of the first to seventh bits may be referred to as “first to seventh pixel information”.

  Accordingly, the first changing unit 504 can acquire the pixel information specified by the second specifying unit 503 as the pixel information to be changed. The identified data is stored in a storage area such as the RAM 203, the magnetic disk 205, and the optical disk 207, for example. The second specifying unit 503 realizes its function by causing the CPU 201 to execute a program stored in a storage device such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 shown in FIG.

  The first changing unit 504 changes the value of the bit at the position corresponding to the specified attribute type in the bit string indicating the pixel information of the specified pixel to the specified attribute value. For example, the first changing unit 504 refers to the atomic symbol-attribute correspondence information table 300 and identifies the position “first bit” corresponding to the attribute type “symbol type”. Next, the first changing unit 504 specifies the attribute value “1” indicating the type information “atomic symbol”. Then, the first changing unit 504 is configured to change the value of the bit at the specified position “first bit” in the bit string “000000000000000000000000” indicating the pixel information of the specified pixel to the type information. Change to attribute value “1” indicating “atomic symbol”.

  In addition, when the second specifying unit 503 specifies the pixel information of the pixel corresponding to each bit, the first changing unit 504 includes the attribute of the bit string indicating the pixel information corresponding to each bit. The value of the bit at the position corresponding to the type may be changed to the value of each bit. For example, the first changing unit 504 converts the value of the bit at the position “first bit” according to the attribute type “symbol type” in the bit string “000000000000000000000000” indicating the first pixel information to the first Change the bit value to “0”.

  Similarly, the first changing unit 504 is in the position “first bit” corresponding to the attribute type “symbol type” in the bit string indicating the pixel information of each of the second to sixth pixel information. The bit value is changed to the value “0” of each of the second to sixth bits. In addition, the first changing unit 504 sets, for example, the value of the bit at the position “first bit” according to the attribute type “symbol type” in the bit string “000000000000000000000000” indicating the seventh pixel information. The value of bit 7 is changed to “1”.

  Thereby, the first changing unit 504 can embed the attribute of the atomic symbol and the attribute of the bond symbol in the image information. The changed data is stored in a storage area such as the RAM 203, the magnetic disk 205, and the optical disk 207, for example. The first changing unit 504 realizes its function by causing the CPU 201 to execute a program stored in a storage device such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 shown in FIG.

  The second changing unit 505 changes the value of a bit at a predetermined position different from the position corresponding to the specified attribute in the bit string indicating the specified pixel information to a predetermined value. Here, the predetermined value is, for example, a storage destination identifier indicating that the bit string indicating the pixel information has been changed by the first changing unit 504, and is “1, 0, 1”. The predetermined position is, for example, a position to be changed to a storage destination identifier in a bit string indicating pixel information, and is the 8th, 16th, and 24th bits. The second changing unit 505 indicates, for example, the value of the bit at the predetermined position “8th, 16th, 24th bits” in the bit string “000000000000000000000000” indicating the pixel information of the specified pixel, and the storage destination identifier. The value is changed to a predetermined value “1, 0, 1”.

  Thereby, the extraction unit 506 searches the image information for pixel information in which the value of the bit at the predetermined position “8th, 16th, and 24th bits” is changed to the predetermined value “1, 0, 1”. Thus, the pixel information in which the attribute value of the atomic symbol or the attribute value of the bond symbol is stored can be extracted. The changed data is stored in a storage area such as the RAM 203, the magnetic disk 205, and the optical disk 207, for example. The second changing unit 505 realizes its function by causing the CPU 201 to execute a program stored in a storage device such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 shown in FIG.

<Second operation>
Next, a functional unit that realizes the second operation will be described. The second operation is realized by the extracting unit 506 and the third specifying unit 507.

  The extraction unit 506 extracts pixel information in which the value of a bit at a predetermined position is a predetermined value from the image information of the structural formula 111. Here, in the image information of the structural formula 111, for example, the value of the bit at the position corresponding to the attribute of the symbol is changed to the value of the bit indicating the attribute of the symbol, and the value of the bit at the predetermined position is predetermined. The pixel information changed to the value of is included. For example, the extraction unit 506 stores the value of the bit at the predetermined position “8th, 16th, and 24th bits” from the changed image information changed by the first and second changing units 505. Pixel information that has been changed to a predetermined value “1, 0, 1” indicating the identifier is extracted.

  Thereby, the third specifying unit 507 can specify the attribute of the atomic symbol or the attribute of the bond symbol from the pixel information extracted by the extracting unit 506. The extracted data is stored in a storage area such as the RAM 203, the magnetic disk 205, and the optical disk 207, for example. The extraction unit 506 realizes its function by causing the CPU 201 to execute a program stored in a storage device such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 shown in FIG.

  Here, the extraction unit 506 extracts pixel information in which the value of a bit at a predetermined position is a predetermined value, but is not limited thereto. For example, the extraction unit 506 may identify each piece of pixel information of the image information in the order of raster scanning, and may extract pixel information of a pixel at a position that satisfies a predetermined condition.

  The third specifying unit 507 specifies the attribute based on the value of the bit at the position corresponding to the type of the symbol attribute in the extracted bit string indicating the pixel information. For example, when the attribute type is “symbol type”, the third specifying unit 507 refers to the atomic symbol-attribute correspondence information table 300 and sets the bit position “first bit” corresponding to the attribute type. Identify. Next, the third specifying unit 507 specifies the type information “atomic symbol” from the bit value “1” at the specified position “first bit” in the bit string “100000000010000000000001” indicating the extracted pixel information. can do.

  Thereby, the 3rd specific | specification part 507 can pinpoint the classification of a symbol. The identified data is stored in a storage area such as the RAM 203, the magnetic disk 205, and the optical disk 207, for example. For example, the third specifying unit 507 realizes its function by causing the CPU 201 to execute a program stored in a storage device such as the ROM 202, the RAM 203, the magnetic disk 205, and the optical disk 207 illustrated in FIG.

(Specific example of the first operation)
Next, a specific example of the first operation will be described with reference to FIGS.

  6 to 18 are explanatory diagrams showing specific examples of the first operation. In the example of FIGS. 6 to 18, the information processing apparatus 100 adds the attribute value and bond symbol of the atomic symbol included in the structural formula 111 to the image information in which the structural formula 111 of the compound “CH 3 -CHO (acetaldehyde)” is drawn. Embed attribute values.

  In FIG. 6, the information processing apparatus 100 acquires a compound structure information file 600. The compound structure information file 600 includes an atomic symbol attribute and a bond symbol attribute included in the structural formula 111 of the compound “CH 3 —CHO”. In the example of FIG. 6, the atomic symbol attribute is included in the atomic block portion of the compound structure information file 600. The binding block portion of the compound structure information file 600 includes a binding symbol attribute.

  The atomic symbol attributes included in the compound structure information file 600 are, for example, the X coordinate value of the atomic symbol, the Y coordinate value of the atomic symbol, the atomic symbol, the charge of the atomic symbol, and the like. In the atomic block portion of the compound structure information file 600, the number in the first column indicates the X coordinate value of the atomic symbol, the number in the second column indicates the Y coordinate value of the atomic symbol, and the character string in the third column is the atom. The symbol indicates the charge of the atomic symbol in the fourth column. In the example of FIG. 6, the X coordinate value “30”, the Y coordinate value “57”, the atomic symbol “C”, and the charge “0” are stored in the first line of the compound structure information file 600 as the atomic symbol attributes. Has been.

  In addition, the attribute of the bond symbol included in the compound structure information file 600 is, for example, the first atom ID and the second atom ID of the first atomic symbol of the first and second atomic symbols bonded by the bond symbol. Are the second atom ID, bond type, solid type, and the like. In the bond block portion of the compound structure information file 600, the number in the first column indicates the first atom ID, the number in the second column indicates the second atom ID, and the number in the third column indicates the bond type. The numbers in the fourth column indicate the solid type. The atomic IDs of atomic symbols are assigned in the order in which atomic symbols appear in the compound structure information file 600, for example. For example, the atom ID “C” described in the first line of the compound structure information file 600 is “1”. In the example of FIG. 6, on the ninth line of the compound structure information file 600, the atom ID “1” of the first atomic symbol, the atomic ID “3” of the second atomic symbol, the bond type “ 1 ”and the solid type“ 3 ”are stored.

  In FIG. 7, the information processing apparatus 100 creates a first drawing area 700 for drawing the structural formula 111. The first drawing area 700 is image information in which a background color “white” is set as pixel information of a pixel, for example. In the example of FIG. 7, the first drawing area 700 is shown in the upper part, and the upper left part of the first drawing area 700 is shown in the lower part.

  Here, the pixel information of the pixel of the background color “white” is the bit string “111111111111111111111111”. The bit string “111111111111111111111111” indicates (R, G, B) = (255, 255, 255).

  In FIG. 8, the information processing apparatus 100 creates a base image 800 in which the structural formula 111 of the compound is drawn on the first drawing area 700. The base image 800 is, for example, a structural formula on the first drawing area 700 by setting the character color “black” as the pixel information of the pixel at the drawing position of the structural formula 111 on the first drawing area 700. 111 is a rendered image. For example, the drawing position is specified from the X coordinate value and the Y coordinate value of the atomic symbol in the compound structure information file 600. In the example of FIG. 8, the base image 800 is shown at the top, and an enlarged upper left portion of the base image 800 is shown at the bottom.

  Here, the pixel information of the pixel of the character color “black” is “000000000000000000000000”. The bit string “000000000000000000000000” indicates (R, G, B) = (0, 0, 0).

  In FIG. 9, the information processing apparatus 100 has the same size as the first drawing area 700, and a second drawing area 900 for drawing either the atomic symbol or the bond symbol included in the structural formula 111. Create The second drawing area 900 is, for example, image information in which a background color “white” is set as pixel information of a pixel. In the example of FIG. 9, the second drawing area 900 is shown in the upper part, and the upper left part of the second drawing area 900 is shown in the lower part.

  In FIG. 10, the information processing apparatus 100 selects either the atomic symbol or the bond symbol included in the structural formula 111 of the compound, and displays the structural image 1000 in which the selected symbol is drawn on the second drawing area 900. create. Here, for example, a case where the atomic symbol “C” included in the structural formula 111 is selected will be described as an example. In this case, the structural image 1000 is obtained by setting the character color “black” as the pixel information of the pixel at the drawing position of the atomic symbol “C” on the second drawing area 900. Is an image in which the atomic symbol “C” is drawn. In the example of FIG. 10, the structure image 1000 is shown in the upper part, and an enlarged upper left portion of the structure image 1000 is shown in the lower part.

  Next, the information processing apparatus 100 specifies a pixel group representing the atomic symbol “C” in the structure image 1000. Then, the information processing apparatus 100 specifies seven pixels at the position of reference numeral 1001 that are storage destinations of the attribute value of the atomic symbol “C” in the specified pixel group. Here, the information processing apparatus 100 includes a pixel at coordinates (136, 86), a pixel at coordinates (137, 85), a pixel at coordinates (137, 86), a pixel at coordinates (137, 87), and a coordinate (138, 85). ), A pixel at coordinates (138, 86), and a pixel at coordinates (139, 85).

  In FIG. 11, the information processing apparatus 100 determines the change contents of the pixel information of each of the specified seven pixels, and changes the pixel information of each pixel. For example, the information processing apparatus 100 specifies an attribute value “0000001” indicating “atom symbol” which is the type information of the atomic symbol “C”. Next, the information processing apparatus 100 associates the bit value of the attribute value with the pixel information of the pixel having a relatively small X coordinate value among the specified seven pixels 1001 in order from the top. Here, when there is a pixel having the same X coordinate value, the information processing apparatus 100 uses the bit value of the attribute value as pixel information of a pixel having a relatively small Y coordinate value among pixels having the same X coordinate. Associate with.

  As a result, the information processing apparatus 100 associates the first bit of the attribute value with the pixel at the coordinates (136, 86). Further, the information processing apparatus 100 associates the second bit of the attribute value with the pixel at the coordinates (137, 85). Further, the information processing apparatus 100 associates the third bit of the attribute value with the pixel at the coordinates (137, 86). Further, the information processing apparatus 100 associates the fourth bit of the attribute value with the pixel at the coordinates (137, 87). In addition, the information processing apparatus 100 associates the fifth bit of the attribute value with the pixel at coordinates (138, 85). Further, the information processing apparatus 100 associates the sixth bit of the attribute value with the pixel at the coordinates (138, 86). In addition, the information processing apparatus 100 associates the seventh bit of the attribute value with the pixel at coordinates (139, 85).

  Then, the information processing apparatus 100 generates storage destination pixel information indicating that the pixel information is the storage destination pixel information of the atomic symbol attribute. The storage destination pixel information is, for example, a bit string “000000010000000000000001” in which the value of each bit of “8th, 16th, 24th bits” of the pixel information is changed to each value of the storage destination identifier “1,0,1”. It is. Next, the information processing apparatus 100 ANDs the pixel information “000000000000000000000000” of the pixel at the coordinates (136,86) and the storage destination pixel information “000000010000000000000001”.

  Then, the information processing apparatus 100 refers to the atomic symbol-attribute correspondence information table 300 and identifies the position “first bit” corresponding to the “atomic symbol” that is the atomic symbol type information. Next, the information processing apparatus 100 changes the value of the bit at the specified position “first bit” of “000000010000000000000001” as a result of the AND operation to the value “0” of the first bit of the attribute value. The result of the change is a bit string “000000010000000000000001”.

  Then, the information processing apparatus 100 changes the pixel information of the pixel at the coordinates (136, 86) to the generated bit string “000000010000000000000001”. Similarly, the information processing apparatus 100 changes the pixel information of the pixels at other coordinates. Thereby, the information processing apparatus 100 can store the attribute value indicating the “atomic symbol”, which is the type information of the atomic symbol, in the pixel information of the specified seven pixels.

  Next, the information processing apparatus 100 refers to the compound structure information file 600 to identify the appearance order “1” of the atomic symbol “C” and the atomic ID “1” of the atomic symbol “C”. Then, the information processing apparatus 100 specifies the attribute value “00000000000001” indicating “1” which is the atom ID of the specified atomic symbol “C”. Next, the information processing apparatus 100 divides the attribute value every 7 bits and divides the attribute value into the first bit string “0000000” and the second bit string “0000001”.

  Then, the information processing apparatus 100 sequentially associates the pixel information of the pixels with relatively small X coordinate values among the identified seven pixels, starting from the value of the first bit of the first bit string. At this time, if there is a pixel having the same X coordinate value, the information processing apparatus 100 associates the pixel information of a pixel having a relatively small Y coordinate value among pixels having the same X coordinate value.

  In addition, the information processing apparatus 100 associates pixel information of pixels with relatively small X coordinate values among the seven specified pixels in order from the value of the first bit of the second bit string. At this time, if there is a pixel having the same X coordinate value, the information processing apparatus 100 associates the pixel information of a pixel having a relatively small Y coordinate value among pixels having the same X coordinate value.

  As a result, the information processing apparatus 100 associates the first bit and the eighth bit of the attribute value with the pixel at the coordinates (136, 86). In addition, the information processing apparatus 100 associates the second bit and the ninth bit of the attribute value with the pixel at the coordinates (137, 85). Further, the information processing apparatus 100 associates the third bit and the tenth bit of the attribute value with the pixel at the coordinates (137, 86). Further, the information processing apparatus 100 associates the fourth bit and the eleventh bit of the attribute value with the pixel at the coordinates (137, 87). Further, the information processing apparatus 100 associates the fifth bit and the twelfth bit of the attribute value with the pixel at the coordinates (138, 85). In addition, the information processing apparatus 100 associates the 6th and 13th bits of the attribute value with the pixel at the coordinates (138, 86). Further, the information processing apparatus 100 associates the 7th and 14th bits of the attribute value with the pixel at the coordinates (139, 85).

  Next, the information processing apparatus 100 ANDs the pixel information “000000000000000000000000” of the pixel at the coordinates (136,86) and the storage destination pixel information “000000010000000000000001”.

  Then, the information processing apparatus 100 refers to the atomic symbol / attribute correspondence information table 300 and identifies the position “second and third bits” corresponding to “1” which is the atomic ID of the atomic symbol. Next, the information processing apparatus 100 calculates the value of each bit at the specified position “second and third bits” among “000000010000000000000001” as a result of ANDing, and sets each of the first and eighth bits of the attribute value. Change to the value “0,0”. The result of the change is a bit string “000000010000000000000001”.

  Then, the information processing apparatus 100 changes the pixel information of the pixel at the coordinates (136, 86) to the generated bit string “000000010000000000000001”. Similarly, the information processing apparatus 100 changes the pixel information of the pixels at other coordinates. Thereby, the information processing apparatus 100 can store the attribute value indicating “1”, which is the atomic ID of the atomic symbol, in the pixel information of the specified seven pixels.

  Similarly, the information processing apparatus 100 stores the attribute value “0000000000001010” indicating the atomic number “6” of the atomic symbol “C” in the pixel information of the specified seven pixels. Similarly, the information processing apparatus 100 stores the attribute value “0000000000000011110” indicating “30” that is the X coordinate value of the atomic symbol “C” in the pixel information of the specified seven pixels.

  Similarly, the information processing apparatus 100 stores the attribute value “000000000000000111001” indicating the Y coordinate value “57” of the atomic symbol “C” in the pixel information of the specified seven pixels. Similarly, the information processing apparatus 100 stores the attribute value “0000000” indicating “0”, which is the charge value of the atomic symbol “C”, in the pixel information of the specified seven pixels. As a result, the pixel information of the specified seven pixels is changed to the pixel information shown in FIG.

  As a result, as shown in FIG. 12, the structure image 1000 becomes a structure image 1200 in which the attribute value of the atomic symbol “C” is stored in the image information. In the example of FIG. 12, the structure image 1200 is shown in the upper part, and the upper left part of the structure image 1200 is shown in the lower part. Next, the information processing apparatus 100 ANDs each pixel information of the base image 800 shown in FIG. 8 and each pixel information of the structure image 1200 shown in FIG.

  As a result, as shown in FIG. 13, the base image 800 represents the structural formula 111 of the compound, and the attribute value of the atomic symbol “C” is included in the pixel information of some pixels of the pixel group representing the atomic symbol “C”. Is stored in the base image 1300. In the example of FIG. 13, the base image 1300 is shown in the upper part, and an enlarged upper left portion of the base image 1300 is shown in the lower part.

  In FIG. 14, the information processing apparatus 100, similar to FIGS. 9 to 12, uses other atomic symbols or other bond symbols different from the atomic symbol “C” that stores the attribute values in FIGS. 9 to 12. A structure image 1400 storing attribute values is created.

  In the example of FIG. 14, the information processing apparatus 100 creates the second drawing area 900 again. Next, the information processing apparatus 100 selects a bond symbol “single bond” different from the atomic symbol “C” in which the attribute value is stored in FIGS. 9 to 12, and selects the selected symbol on the second drawing area 900. A drawn structural image 1400 is created. In the example of FIG. 14, the structure image 1400 is shown in the upper part, and the upper left part of the structure image 1400 is enlarged in the lower part.

  Then, the information processing apparatus 100 specifies a pixel group that represents the combination symbol “single combination” in the structure image 1400. Next, the information processing apparatus 100 identifies seven pixels at the position of reference numeral 1401 that are storage destinations of the attribute value of the coupling symbol “single coupling” among the identified pixel group. Here, the information processing apparatus 100 includes a pixel at coordinates (49, 87), a pixel at coordinates (49, 88), a pixel at coordinates (49, 89), a pixel at coordinates (49, 90), and a coordinate (49, 91). ), A pixel at coordinates (49, 92), and a pixel at coordinates (49, 93).

  In FIG. 15, the information processing apparatus 100 determines the change contents of the pixel information of each of the specified seven pixels, and changes the pixel information of each pixel. The information processing apparatus 100 specifies, for example, an attribute value “0000010” indicating “link symbol” that is type information of the bond symbol “single bond”.

  Next, the information processing apparatus 100 associates pixel information of pixels with relatively small X coordinate values among the seven specified pixels in order from the value of the first bit of the first bit string. At this time, if there is a pixel having the same X coordinate value, the information processing apparatus 100 associates the pixel information of a pixel having a relatively small Y coordinate value among pixels having the same X coordinate value.

  As a result, the information processing apparatus 100 associates the first bit of the attribute value with the pixel at coordinates (49, 87). Further, the information processing apparatus 100 associates the second bit of the attribute value with the pixel at coordinates (49, 88). Further, the information processing apparatus 100 associates the third bit of the attribute value with the pixel at coordinates (49, 89). Further, the information processing apparatus 100 associates the fourth bit of the attribute value with the pixel at coordinates (49, 90). In addition, the information processing apparatus 100 associates the fifth bit of the attribute value with the pixel at coordinates (49, 91). Further, the information processing apparatus 100 associates the sixth bit of the attribute value with the pixel at the coordinates (49, 92). In addition, the information processing apparatus 100 associates the seventh bit of the attribute value with the pixel at coordinates (49, 93).

  Next, the information processing apparatus 100 ANDs the pixel information “000000000000000000000000” of the pixel at the coordinates (49,87) and the storage destination pixel information “000000010000000000000001”.

  Then, the information processing apparatus 100 refers to the combined symbol / attribute correspondence information table 400 and specifies the position “first bit” corresponding to the “combined symbol” that is the type information of the combined symbol. Next, the information processing apparatus 100 changes the value of the bit at the specified position “first bit” of “000000010000000000000001” as a result of the AND operation to the value “0” of the first bit of the attribute value. The result of the change is a bit string “000000010000000000000001”.

  Then, the information processing apparatus 100 changes the pixel information of the pixel at coordinates (49,87) to the generated bit string “000000010000000000000001”. Similarly, the information processing apparatus 100 changes the pixel information of the pixels at other coordinates. Thereby, the information processing apparatus 100 can store the attribute value indicating the “joined symbol” that is the type information of the joined symbol in the pixel information of the specified seven pixels.

  Next, the information processing apparatus 100 refers to the compound structure information file 600 and specifies the attribute value “00000000000011” indicating “lower” which is the three-dimensional type of the bond symbol “single bond”. Then, the information processing apparatus 100 sequentially associates the pixel information of the pixels with relatively small X coordinate values among the identified seven pixels, starting from the value of the first bit of the first bit string. At this time, if there is a pixel having the same X coordinate value, the information processing apparatus 100 associates the pixel information of a pixel having a relatively small Y coordinate value among pixels having the same X coordinate value.

  As a result, the information processing apparatus 100 associates the first bit of the attribute value with the pixel at coordinates (49, 87). Further, the information processing apparatus 100 associates the second bit of the attribute value with the pixel at coordinates (49, 88). Further, the information processing apparatus 100 associates the third bit of the attribute value with the pixel at coordinates (49, 89). Further, the information processing apparatus 100 associates the fourth bit of the attribute value with the pixel at coordinates (49, 90). In addition, the information processing apparatus 100 associates the fifth bit of the attribute value with the pixel at coordinates (49, 91). Further, the information processing apparatus 100 associates the sixth bit of the attribute value with the pixel at the coordinates (49, 92). In addition, the information processing apparatus 100 associates the seventh bit of the attribute value with the pixel at coordinates (49, 93).

  Next, the information processing apparatus 100 ANDs the pixel information “000000000000000000000000” of the pixel at the coordinates (49,87) and the storage destination pixel information “000000010000000000000001”.

  Then, the information processing apparatus 100 refers to the combined symbol / attribute correspondence information table 400 to identify the position “20th bit” corresponding to “lower” that is the solid type of the combined symbol. Next, the information processing apparatus 100 changes the value of the bit at the specified position “20th bit” of “000000010000000000000001” as a result of ANDing to the value “0” of the first bit of the attribute value. The result of the change is a bit string “000000010000000000000001”.

  Then, the information processing apparatus 100 changes the pixel information of the pixel at coordinates (49,87) to the generated bit string “000000010000000000000001”. Similarly, the information processing apparatus 100 changes the pixel information of the pixels at other coordinates. As a result, the information processing apparatus 100 can store the attribute value indicating “lower”, which is the three-dimensional type of the combined symbol, in the pixel information of the specified seven pixels.

  Similarly, the information processing apparatus 100 stores the attribute value “00000000000001” indicating “single bond” that is the combination type of the combination symbol “single bond” in the pixel information of the specified seven pixels. Similarly, the information processing apparatus 100 adds “1”, which is the first atomic ID indicating the first atomic symbol coupled by the coupling symbol “single bond”, to the pixel information of the identified seven pixels. The indicated attribute value “00000000000001” is stored.

  Similarly, the information processing apparatus 100 adds “3”, which is the second atomic ID indicating the second atomic symbol coupled by the coupling symbol “single bond”, to the pixel information of the identified seven pixels. The indicated attribute value “000000000000101” is stored. As a result, the pixel information of the specified seven pixels is changed to the pixel information shown in FIG.

  As a result, as shown in FIG. 16, the structure image 1400 becomes a structure image 1600 in which the attribute value of the combination symbol “single bond” is stored in the image information. In the example of FIG. 16, the structure image 1600 is shown in the upper part, and the upper left part of the structure image 1600 is enlarged in the lower part. Next, the information processing apparatus 100 ANDs each pixel information of the base image 1300 illustrated in FIG. 13 and each pixel information of the structure image 1600 illustrated in FIG.

  As a result, as shown in FIG. 17, the base image 1300 shows the structural formula 111 of the compound, and the pixel information of some pixels of the pixel group representing the bond symbol “single bond” includes the bond symbol “single bond”. It becomes the base image 1700 in which the attribute value is stored. In the example of FIG. 17, the base image 1700 is shown in the upper part, and an enlarged upper left portion of the base image 1700 is shown in the lower part.

  9 to 17, the information processing apparatus 100 uses another atomic symbol or other than the atomic symbol “C” and the bond symbol “single bond” that store the attribute values in FIGS. 9 to 17. A structure image storing attribute values is created for the combined symbols. Then, each time the information processing apparatus 100 is created, the information processing apparatus 100 performs an AND operation on each pixel information of the base image and each pixel information of the created structure image.

  As a result, as shown in FIG. 18, the base image 1700 shows the structural formula 111 of the compound, and becomes a base image 1800 in which the attribute value of each symbol included in the structural formula 111 of the compound is stored. In the example of FIG. 18, the base image 1800 is shown in the upper part, and an enlarged upper left portion of the base image 1800 is shown in the lower part.

  Thereby, the information processing apparatus 100 can embed the attribute value of the atomic symbol and the attribute value of the bond symbol in the image information. For this reason, the user of the information processing apparatus 100 does not have to separately manage the image information and the structural information indicating the attribute of the atomic symbol and the attribute of the bond symbol, thereby reducing the amount of work required for the management. be able to.

(Attribute value storage processing)
Next, an example of the attribute value storage processing procedure of the information processing apparatus 100 will be described with reference to FIG. The attribute value storage process is a process for performing the first operation shown in FIGS.

  FIG. 19 is a flowchart illustrating an example of an attribute value storage processing procedure. In FIG. 19, the information processing apparatus 100 acquires the compound structure information file 600 (step S1901). Next, the information processing apparatus 100 acquires the attribute of the atomic symbol and the attribute of the bond symbol from the compound structure information file 600 (step S1902).

  Then, the information processing apparatus 100 creates a base image based on the atomic symbol attribute and the bond symbol attribute (step S1903). Next, the information processing apparatus 100 selects an unselected symbol among the atomic symbols and bond symbols included in the structural formula 111 of the compound (step S1904).

  The information processing apparatus 100 executes the structure image creation process shown in FIG. 20 (step S1905). Next, the information processing apparatus 100 performs the pixel extraction process illustrated in FIG. 21 (step S1906). The information processing apparatus 100 executes the structure information embedding process shown in FIG. 23 (step S1907).

  Next, the information processing apparatus 100 performs an AND operation between the pixel information of each pixel in the base image and the pixel information of each pixel in the structure image (step S1908). In step S1904, the information processing apparatus 100 determines whether an unselected symbol is included in the structural formula 111 of the compound (step S1909).

  If there is an unselected symbol (step S1909: YES), the information processing apparatus 100 returns to step S1904. On the other hand, when there is no unselected symbol (step S1909: No), the information processing apparatus 100 ends the attribute value storage process. Thereby, the information processing apparatus 100 can embed the attribute value of the atomic symbol and the attribute value of the bond symbol in the image information. For this reason, the user of the information processing apparatus 100 does not have to separately manage the image information and the structural information indicating the attribute of the atomic symbol and the attribute of the bond symbol, thereby reducing the amount of work required for the management. be able to.

(Structural image creation process)
Next, an example of the structure image creation processing procedure shown in step S1905 will be described with reference to FIG.

  FIG. 20 is a flowchart illustrating an example of a structural image creation processing procedure. In FIG. 20, the information processing apparatus 100 creates a drawing area having the same size as the base image (step S2001). Next, the information processing apparatus 100 determines whether or not the symbol selected in step S1904 is an atomic symbol (step S2002).

  If the symbol is an atomic symbol (step S2002: Yes), the information processing apparatus 100 creates a structural image by drawing the selected atomic symbol on the drawing region created in step S2001 (step S2003). Then, the information processing apparatus 100 ends the structural image creation process.

  On the other hand, if the symbol is not an atomic symbol (step S2002: No), the information processing apparatus 100 creates a structural image by drawing the selected bond symbol on the drawing area created in step S2001 (step S2004). Then, the information processing apparatus 100 ends the structural image creation process. Thereby, the information processing apparatus 100 can create a structure image to be superimposed on the base image.

(Pixel extraction processing)
Next, an example of the pixel extraction processing procedure shown in step S1906 will be described with reference to FIG.

  FIG. 21 is a flowchart illustrating an example of a pixel extraction processing procedure. In FIG. 21, the information processing apparatus 100 sets 0 to a variable x indicating an X coordinate value on the structure image (step S2101). Next, the information processing apparatus 100 sets 0 to the variable y indicating the Y coordinate value on the structure image (step S2102).

  The information processing apparatus 100 initializes a check flag associated with each pixel on the structure image and a temporary storage area for storing the coordinates of the extracted pixel (step S2103). Next, the information processing apparatus 100 executes the recursion process shown in FIG. 22 (step S2104). The information processing apparatus 100 determines whether or not the coordinates of N or more pixels are stored in the temporary storage area (step S2105).

  If the information is stored (step S2105: YES), the information processing apparatus 100 stores the storage contents of the temporary storage area in the global storage area (step S2106). Then, the information processing apparatus 100 ends the pixel extraction process.

  On the other hand, when not stored (step S2105: No), the information processing apparatus 100 adds 1 to the variable y (step S2107). The information processing apparatus 100 determines whether the variable y is a value larger than the image height of the structure image (step S2108). If the value is not a large value (step S2108: NO), the information processing apparatus 100 returns to step S2103.

  On the other hand, when it is a large value (step S2108: Yes), the information processing apparatus 100 adds 1 to the variable x (step S2109). Then, the information processing apparatus 100 determines whether or not the variable x is a value larger than the image width of the structure image (step S2110). If the value is not a large value (step S2110: NO), the information processing apparatus 100 returns to step S2102.

  On the other hand, when it is a large value (step S2110: Yes), the information processing apparatus 100 ends the pixel extraction process. Thereby, the information processing apparatus 100 can extract a pixel that stores an attribute value of either an atomic symbol or a bond symbol. Here, the information processing apparatus 100 may end the attribute value storage process when N pixels cannot be extracted by the pixel extraction process.

(Recursive processing)
Next, an example of the recursive processing procedure shown in step S2104 will be described using FIG.

  FIG. 22 is a flowchart illustrating an example of the recursive processing procedure. In FIG. 22, the information processing apparatus 100 acquires pixel information of a pixel located at coordinates indicated by a variable x and a variable y (step S2201). Next, the information processing apparatus 100 refers to the acquired pixel information and the check flag associated with the pixel, the pixel information of the pixel indicates a character color, and the pixel is unchecked. It is determined whether or not there is (step S2202).

  Here, when the pixel information of the pixel indicates a color other than the character color, or when the pixel is already checked (step S2202: No), the information processing apparatus 100 ends the recursion process. On the other hand, if the pixel information of the pixel indicates a character color and the pixel is unchecked (step S2202: YES), the information processing apparatus 100 proceeds to the process of step S2203.

  In step S2203, the information processing apparatus 100 determines whether the pixel is not a pixel at the coordinates stored in the global storage area and is not adjacent to the pixel at the coordinates stored in the global storage area. Is determined (step S2203). Here, when the pixel is a pixel at the coordinates stored in the global storage area, or when the pixel is adjacent to the pixel at the coordinates stored in the global storage area (step S2203: No), the information The processing device 100 ends the recursive process.

  On the other hand, if the pixel is not a pixel at the coordinates stored in the global storage area and is not a pixel adjacent to the pixel at the coordinates stored in the global storage area (step S2203: Yes), information processing is performed. The apparatus 100 proceeds to the process of step S2204.

  In step S2204, the information processing apparatus 100 stores the coordinates indicated by the variable x and the variable y in the temporary storage area (step S2204). Next, the information processing apparatus 100 determines whether or not the coordinates of N or more pixels are stored in the temporary storage area (step S2205). If the coordinates of the pixel are stored (step S2205: YES), the information processing apparatus 100 ends the recursive process.

  On the other hand, when the coordinates of the pixel are not stored (step S2205: No), the information processing apparatus 100 sets the check flag of the pixel to checked (step S2206). Next, the information processing apparatus 100 selects an unselected pixel among the eight pixels around the pixel (step S2207). Then, the information processing apparatus 100 executes a recursive process (step S2208).

  Next, the information processing apparatus 100 determines whether or not the coordinates of N or more pixels are stored in the temporary storage area (step S2209). If the information is stored (step S2209: YES), the information processing apparatus 100 ends the recursion process.

  On the other hand, when not stored (step S2209: No), the information processing apparatus 100 determines whether there is an unselected pixel among the eight pixels around the pixel (step S2210). If there is an unselected pixel (step S2210: Yes), the information processing apparatus 100 returns to the process of step S2207. On the other hand, when there is no unselected pixel (step S2210: No), the information processing apparatus 100 ends the recursive process. Thereby, the information processing apparatus 100 can extract a pixel that stores an attribute value of either an atomic symbol or a bond symbol.

(Structural information embedding process)
Next, an example of the structure information embedding process procedure shown in step S1907 will be described with reference to FIG.

  FIG. 23 is a flowchart illustrating an example of the structure information embedding processing procedure. In FIG. 23, the information processing apparatus 100 selects an unselected attribute among the symbol attributes selected in step S1904 (step S2301). Next, the information processing apparatus 100 creates an attribute value by expressing the selected attribute in an N-bit binary number (step S2302).

  Then, the information processing apparatus 100 associates each piece of pixel information of the N pieces of pixel information stored in the global storage area with each bit value of the N-bit attribute value (step S2303).

  Next, the information processing apparatus 100 selects unselected pixel information from the pixel information of N pixels stored in the global storage area (step S2304). Then, the information processing apparatus 100 performs AND between the selected pixel information and the storage destination pixel information (step S2305).

  Next, the information processing apparatus 100 refers to the atomic symbol-attribute correspondence information table 300 or the combined symbol-attribute correspondence information table 400 and the bit value of the attribute value corresponding to the selected pixel information and takes an AND. It is determined whether or not to change the bit string indicating the result (step S2306). If no change is made (step S2306: NO), the information processing apparatus 100 proceeds to the process of step S2308.

  On the other hand, when changing (step S2306: Yes), the information processing apparatus 100 corresponds to the selected pixel information with the value of the bit at the position corresponding to the selected attribute in the bit string indicating the result of the AND operation. The bit value of the attribute value to be changed is changed (step S2307). Then, the information processing apparatus 100 proceeds to the process of step S2308.

  In step S2308, the information processing apparatus 100 changes the selected pixel information to a result of taking an AND in step S2305 or a result of taking an AND changed in step S2307 (step S2308).

  Next, the information processing apparatus 100 determines whether there is unselected pixel information among the pixel information of N pixels stored in the global storage area (step S2309). If there is unselected pixel information (step S2309: YES), the information processing apparatus 100 returns to the process of step S2304.

  On the other hand, when there is no unselected pixel information (step S2309: No), the information processing apparatus 100 determines whether there is an unselected attribute among the attributes of the symbols selected in step S1904 (step S2310). ). Here, when there is an unselected attribute (step S2310: Yes), the information processing apparatus 100 returns to the process of step S2301. On the other hand, when there is no unselected attribute (step S2310: No), the information processing apparatus 100 ends the structure information embedding process. Thereby, the information processing apparatus 100 can embed the attribute value of the atomic symbol and the attribute value of the bond symbol in the image information.

(Specific example of the second operation)
Next, a specific example of the second operation will be described with reference to FIGS.

  24 and 25 are explanatory diagrams showing a specific example of the second operation. In the example of FIG. 24, the information processing apparatus 100 includes the atomic symbol attributes and bond symbols included in the structural formula 111 from the image information of the image 2400 in which the structural formula 111 of the compound “CH 3 -CHO (acetaldehyde)” is drawn. Identify the attributes. In the example of FIG. 24, the image 2400 is shown in the upper part, and the upper left part of the image 2400 is enlarged in the lower part. The image 2400 is the same image as the base image 1800 shown in FIG.

  In FIG. 24, the information processing apparatus 100 accepts selection of a target area indicated by reference numeral 2401, for example. Next, the information processing apparatus 100 performs an AND operation on the pixel information of each pixel in the target area and the extraction pixel information “000000100000000010000001”, and extracts pixel information in which the AND operation result is “000000100000000000001”.

  As a result, the information processing apparatus 100 sets the value of each bit of “8th, 16th, 24th bits” of the pixel information of the pixels in the target area to the storage destination identifier “1, 0, 1”. Pixel information changed to each value can be extracted. In other words, the information processing apparatus 100 can extract pixel information in which a value indicating the attribute of either the atomic symbol or the bond symbol is stored.

  Then, the information processing apparatus 100 groups the pixel information of adjacent pixels in the extracted pixel information. In the example of FIG. 24, a pixel with coordinates (24, 89), a pixel with coordinates (24, 90), a pixel with coordinates (24, 91), a pixel with coordinates (24, 92), and a pixel with coordinates (25, 89). , The pixel at coordinates (25, 90) and the pixel at coordinates (25, 91) are in the first group.

  Also, a pixel with coordinates (49, 87), a pixel with coordinates (49, 88), a pixel with coordinates (49, 89), a pixel with coordinates (49, 90), a pixel with coordinates (49, 91), and a coordinate (49 , 92) and coordinates (49, 93) are in the second group.

  Also, a pixel at coordinates (136, 86), a pixel at coordinates (137, 85), a pixel at coordinates (137, 86), a pixel at coordinates (137, 87), a pixel at coordinates (138, 85), and a coordinate (138 , 86) and the pixel at coordinates (139, 85) are in the third group.

  Next, the information processing apparatus 100 specifies either the attribute of the atomic symbol or the attribute of the bond symbol from the pixel information of each group. For example, the information processing apparatus 100 arranges the pixel information of the second group in ascending order of the X coordinate values. Here, when there is pixel information of the pixels having the same X coordinate value, the information processing apparatus 100 displays the pixel information of the second group as the Y coordinate value of the pixel information of the pixels having the same X coordinate value. Arrange in ascending order.

  Next, in common with the atomic symbol-attribute correspondence information table 300 and the combined symbol-attribute correspondence information table 400, the information processing apparatus 100 specifies the position “first bit” where the attribute value of the type information is stored. . The information processing apparatus 100 sets each pixel information and 1 only for the first bit in order to specify the value of the “first bit” of each pixel information in which the attribute value of the type information is stored. An AND operation is performed on the extraction pixel information “100000000000000000000”. Accordingly, the information processing apparatus 100 determines that the value of the first bit of each pixel information is “0”, “0”, “0”, “0”, “0”, “1” from the result of the AND operation. ”And“ 0 ”.

  Next, the information processing apparatus 100 specifies the bit string “0000010” in which the specified bit values are arranged as an attribute value of “symbol type”. Then, the information processing apparatus 100 specifies the attribute “joined symbol” indicated by the attribute value “0000010”.

  In addition, since the attribute “combined symbol” is specified, the information processing apparatus 100 refers to the combined symbol-attribute correspondence information table 400 to specify the position where the attribute value of another attribute is stored, Specify the attribute value of the attribute. For example, the information processing apparatus 100 specifies the position “20th bit” in which the attribute value of “solid type” is stored.

  Next, in order to specify the value of “20th bit” of each pixel information in which the attribute value of “stereoscopic type” is stored, the information processing apparatus 100 sets each pixel information and only the 20th bit to 1 And AND pixel information for extraction “000000000000000000010” set. Thereby, the information processing apparatus 100 determines that the value of the 20th bit of each pixel information is “0”, “0”, “0”, “0”, “0”, “1” from the result of the AND operation. ”And“ 1 ”.

  Next, the information processing apparatus 100 specifies the bit string “0000011” in which the specified bit values are arranged as an attribute value of “solid type”. Then, the information processing apparatus 100 specifies “lower” indicated by the attribute value “0000011”. Thereby, the information processing apparatus 100 can identify the attribute of the combined symbol from the image information.

  Further, for example, the information processing apparatus 100 arranges the pixel information of the third group in ascending order of the X coordinate values. Here, when there is pixel information of the pixels having the same X coordinate value, the information processing apparatus 100 displays the pixel information of the third group and the Y coordinate value of the pixel information of the pixels having the same X coordinate value. Arrange in ascending order.

  Next, in common with the atomic symbol-attribute correspondence information table 300 and the combined symbol-attribute correspondence information table 400, the information processing apparatus 100 specifies the position “first bit” where the attribute value of the type information is stored. . The information processing apparatus 100 sets each pixel information and 1 only for the first bit in order to specify the value of the “first bit” of each pixel information in which the attribute value of the type information is stored. An AND operation is performed on the extraction pixel information “100000000000000000000”. Thereby, the information processing apparatus 100 determines that the value of the first bit of each pixel information is “0”, “0”, “0”, “0”, “0”, “0” from the result of the AND operation. ”And“ 1 ”.

  Next, the information processing apparatus 100 specifies the bit string “0000001” in which the specified bit values are arranged as an attribute value of “symbol type”. Then, the information processing apparatus 100 specifies the attribute “atomic symbol” indicated by the attribute value “0000001”.

  In addition, since the attribute “atomic symbol” is specified, the information processing apparatus 100 refers to the atomic symbol-attribute correspondence information table 300, specifies the position where the attribute value of another attribute is stored, Specify the attribute value of the attribute. For example, the information processing apparatus 100 specifies the position “second and third bits” where the attribute value of “atom ID” is stored.

  Next, in order to specify the value of “second bit” of each pixel information in which the attribute value of “atom ID” is stored, the information processing apparatus 100 sets each pixel information and only the second bit to 1 AND operation with the pixel information for extraction “01000000000000000000” in which is set. Thereby, the information processing apparatus 100 determines that the value of the second bit of each pixel information is “0”, “0”, “0”, “0”, “0”, “0” from the result of the AND operation. ”And“ 0 ”.

  Further, the information processing apparatus 100 sets each pixel information and 1 only in the third bit in order to specify the value of “third bit” of each pixel information in which the attribute value of “atom ID” is stored. An AND operation is performed on the set pixel information for extraction “001000000000000000000”. Thereby, the information processing apparatus 100 determines that the value of the third bit of each pixel information is “0”, “0”, “0”, “0”, “0”, “0” from the result of the AND operation. ”And“ 1 ”.

  Next, the information processing apparatus 100 specifies the bit string “00000000000001” in which the specified bit values are arranged as the attribute value of “Atom ID”. Then, the information processing apparatus 100 specifies the atom ID “1” indicated by the attribute value “00000000000001”. Thereby, the information processing apparatus 100 can identify the attribute of the atomic symbol from the image information.

  In FIG. 25, the information processing apparatus 100 creates structure information from the attribute of the atomic symbol and the attribute of the bond symbol specified in FIG. 24, and displays the created structure information in a pop-up manner. As a result, the user of the information processing apparatus 100 can grasp the structure information without analyzing the structural formula of the compound by itself, and can grasp the chemical properties of the structural formula. Further, the user of the information processing apparatus 100 can create another structural formula including the target region portion of the structural formula based on the structural information.

(Structural information output processing)
Next, an example of the structure information output processing procedure of the information processing apparatus 100 will be described with reference to FIG. The structure information output process is a process for performing the second operation shown in FIGS.

  FIG. 26 is a flowchart illustrating an example of the structure information output processing procedure. In FIG. 26, the information processing apparatus 100 accepts selection of a target region in the image information of an image in which a compound structure is drawn (step S2601). Next, the information processing apparatus 100 extracts pixel information whose bit value at a predetermined position is a predetermined value from the target region (step S2602). Then, the information processing apparatus 100 groups pixel information of adjacent pixels among the extracted pixel information (step S2603).

  Next, the information processing apparatus 100 specifies either the atomic symbol attribute or the bond symbol attribute from the pixel information in each group (step S2604). Then, the information processing apparatus 100 outputs the identified atomic symbol attribute or bond symbol attribute as structure information (step S2605). Next, the information processing apparatus 100 ends the structure information output process.

  Thereby, the information processing apparatus 100 can extract the attribute value of the atomic symbol and the attribute value of the bond symbol from the image information. Further, the information processing apparatus 100 can output the attribute of the atomic symbol specified from the attribute value of the extracted atomic symbol and the attribute of the bond symbol specified from the extracted attribute value of the bond symbol as structure information. For this reason, the user of the information processing apparatus 100 can grasp the structure information.

  As described above, according to the information processing program, a part of the pixel information of the pixel of the pixel group representing the atomic symbol or bond symbol included in the image information in which the structural formula 111 of the compound is drawn is converted into the attribute value of the atomic symbol. Or it can be changed to the attribute value of the combination symbol. As a result, the information processing program can integrally store the image information depicting the structural formula 111 of the compound and the attribute of the atomic symbol and the attribute of the bond symbol included in the structural formula 111 of the compound. For this reason, the user of the information processing program does not have to manage the image information, the atomic symbol attribute, and the bond symbol attribute in association with each other.

  The information processing program can store, for example, the image information in which the structural formula 111 of the compound is drawn and the drawing position of the atomic symbol or bond symbol as a unit. In addition, the information processing program can, for example, integrally store image information in which the structural formula 111 of the compound is drawn and type information that indicates either the atomic symbol or the bond symbol.

  In addition, the information processing program can store, for example, image information depicting the structural formula 111 of the compound, the atomic number of the atom, and the charge of the atom in the structural formula as a unit. Further, the information processing program can store, for example, image information in which the structural formula 111 of the compound is drawn, the coupling type of the coupling symbol, and the solid type of the coupling symbol as a unit.

  Further, according to the information processing program, when the attribute value is expressed by a plurality of bits, the attribute value can be stored separately in the pixel information of a plurality of pixels included in the image information. As a result, the information processing program can increase the bit length that can be stored in the image information as the attribute value, compared to the case where one pixel is used.

  Further, according to the information processing program, when an attribute value is stored in the pixel information, the value of the bit at a predetermined position in the bit string indicating the pixel information storing the attribute value is set as a value indicating the identifier of the storage destination. change. Thereby, the information processing program can store the identifier for extracting the pixel information in which the attribute value is stored in the pixel information.

  Further, according to the information processing program, it is possible to extract pixel information in which attribute values are stored from image information, and to specify atomic symbol attributes or bond symbol attributes. Thereby, the user of the information processing program can grasp the structural information of the structural formula 111 of the compound drawn in the image information.

  Further, there may be a case where the attribute of the atomic symbol and the attribute of the bond symbol are specified by the character / graphic recognition software that recognizes the structural formula including the atomic symbol and the bond symbol from the image information. However, in this case, chemical knowledge and programming skills are required for the development of the character graphic recognition software, and the cost of the character graphic recognition software increases. On the other hand, according to the information processing program, it is possible to specify the attribute of the atomic symbol and the attribute of the bond symbol by bit operation on the image information, and the cost can be reduced as compared with the case of developing character / graphic recognition software. it can.

  The information processing method described in this embodiment can be realized by executing a program prepared in advance on a computer such as a personal computer or a workstation. The information processing program is recorded on a computer-readable recording medium such as a hard disk, a flexible disk, a CD-ROM, an MO, and a DVD, and is executed by being read from the recording medium by the computer. The information processing program may be distributed through a network such as the Internet.

  The following additional notes are disclosed with respect to the embodiment described above.

(Supplementary note 1)
Obtaining structural information including an attribute of an atomic symbol indicating an atom included in a structural formula of a compound drawn in the drawing area and an attribute of a bond symbol indicating a bond between atoms included in the structural formula;
With reference to the acquired structural information, the attribute of either the atomic symbol or the bond symbol selected from the structural formula is specified,
With reference to the structure information, specify pixel information of any pixel in the pixel group representing the symbol included in the image information of the structural formula drawn on the drawing area,
Of the bit string indicating the pixel information of the specified pixel, the value of the bit at a position corresponding to the type of the specified attribute is changed to a value indicating the specified attribute.
An information processing program for executing a process.

(Supplementary Note 2) The process of specifying the pixel information is as follows:
When the value indicating the attribute is represented by a plurality of bits, the pixel information of the pixel corresponding to each bit of the plurality of bits of the pixel group representing the symbol is specified,
The process to change is
Supplementary note 1 wherein a bit value indicating pixel information of a pixel corresponding to each identified bit is changed to a value of each bit at a position corresponding to the attribute type. Information processing program described in 1.

(Supplementary note 3)
Supplementary note 1 or 2, wherein a process of changing a value of a bit at a predetermined position different from a position corresponding to the specified attribute from the bit string indicating the specified pixel information to a predetermined value is executed. 2. The information processing program according to 2.

(Supplementary note 4)
Pixel information in which the value of the bit at the position corresponding to the attribute of the symbol is changed to the value of the bit indicating the attribute of the symbol, and the value of the bit at the predetermined position is changed to the predetermined value Including pixel information whose bit value at the predetermined position is the predetermined value from the image information of the structural formula,
In the bit string indicating the extracted pixel information, the attribute is specified based on the value of the bit at a position corresponding to the type of the attribute of the symbol.
The information processing program according to appendix 3, wherein the processing is executed.

(Supplementary Note 5) The attribute of the symbol includes a drawing position of the symbol on the drawing area,
The process of specifying the pixel information includes
According to any one of supplementary notes 1 to 4, wherein pixel information of any pixel in a pixel group representing the symbol is specified with reference to a drawing position of the symbol included in the structure information The information processing program described.

(Supplementary note 6) The information according to any one of supplementary notes 1 to 5, wherein the attribute of the symbol includes type information indicating that the symbol is either the atomic symbol or the bond symbol. Processing program.

(Supplementary note 7) When the symbol is the atomic symbol, the attribute of the symbol is the atomic number of the atom, the charge of the atom in the structural formula, and the drawing position of the atomic symbol on the drawing region And the information processing program according to any one of appendices 1 to 6,

(Supplementary note 8) When the symbol is the combination symbol, the attribute of the symbol includes the combination type of the combination, the solid type of the combination, and the drawing position of the combination symbol on the drawing area. The information processing program according to any one of appendices 1 to 7, wherein the information processing program is included.

(Appendix 9)
Among the image information of the structural formula of the compound drawn on the drawing area, pixel information of any pixel of the pixel group indicating either the atomic symbol or the bond symbol included in the structural formula, Extracting the pixel information in which the value of the bit at the position corresponding to the attribute of the symbol in the bit string indicating the pixel information is changed to the value indicating the attribute;
Identifying the attribute of the symbol based on the value of the bit at the position corresponding to the attribute in the extracted bit string indicating the pixel information;
An information processing program for executing a process.

(Supplementary note 10)
Obtaining structural information including an attribute of an atomic symbol indicating an atom included in a structural formula of a compound drawn in the drawing area and an attribute of a bond symbol indicating a bond between atoms included in the structural formula;
With reference to the acquired structural information, the attribute of either the atomic symbol or the bond symbol selected from the structural formula is specified,
With reference to the structure information, specify pixel information of any pixel in the pixel group representing the symbol included in the image information of the structural formula drawn on the drawing area,
Of the bit string indicating the pixel information of the specified pixel, the value of the bit at a position corresponding to the type of the specified attribute is changed to a value indicating the specified attribute.
An information processing method characterized by executing processing.

(Appendix 11) The computer
Among the image information of the structural formula of the compound drawn on the drawing area, pixel information of any pixel of the pixel group indicating either the atomic symbol or the bond symbol included in the structural formula, Extracting the pixel information in which the value of the bit at the position corresponding to the attribute of the symbol in the bit string indicating the pixel information is changed to the value indicating the attribute;
Identifying the attribute of the symbol based on the value of the bit at the position corresponding to the attribute in the extracted bit string indicating the pixel information;
An information processing method characterized by executing processing.

(Supplementary Note 12) Acquire structural information including an attribute of an atomic symbol indicating an atom included in a structural formula of a compound drawn in the drawing area and an attribute of a bond symbol indicating a bond between atoms included in the structural formula An acquisition unit to
A first specifying unit that specifies an attribute of a symbol of either the atomic symbol or the bond symbol selected from the structural formula with reference to the structural information acquired by the acquiring unit;
A second specifying unit that specifies pixel information of any pixel in the pixel group representing the symbol included in the image information of the structural formula drawn on the drawing area with reference to the structure information; ,
Of the bit string indicating the pixel information of the pixel specified by the second specifying unit, the value of the bit at the position corresponding to the type of the attribute specified by the first specifying unit is set as the first value. A changing unit for changing the value to the value specified by the specifying unit;
An information processing apparatus comprising:

(Supplementary note 13) Pixel information of any pixel of a pixel group indicating either an atomic symbol or a bond symbol included in the structural formula from the image information of the structural formula of the compound drawn on the drawing area An extracting unit for extracting the pixel information in which a value of a bit at a position corresponding to the attribute of the symbol in the bit string indicating the pixel information is changed to a value indicating the attribute;
A specifying unit that specifies an attribute of the symbol based on a value of a bit at a position corresponding to the attribute in a bit string indicating the pixel information extracted by the extracting unit;
An information processing apparatus comprising:

DESCRIPTION OF SYMBOLS 100 Information processing apparatus 501 Acquisition part 502 1st specific part 503 2nd specific part 504 1st change part 505 2nd change part 506 Extraction part 507 3rd specific part

Claims (6)

On the computer,
Obtaining structural information including an attribute of an atomic symbol indicating an atom included in a structural formula of a compound drawn in the drawing area and an attribute of a bond symbol indicating a bond between atoms included in the structural formula;
With reference to the acquired structural information, the attribute of either the atomic symbol or the bond symbol selected from the structural formula is specified,
With reference to the structure information, specify pixel information of any pixel in the pixel group representing the symbol included in the image information of the structural formula drawn on the drawing area,
Of the bit string indicating the pixel information of the specified pixel, the value of the bit at a position corresponding to the type of the specified attribute is changed to a value indicating the specified attribute.
An information processing program for executing a process. The process of specifying the pixel information includes
When the value indicating the attribute is represented by a plurality of bits, the pixel information of the pixel corresponding to each bit of the plurality of bits of the pixel group representing the symbol is specified,
The process to change is
The bit value indicating the pixel information of the pixel corresponding to each of the specified bits is changed to a value of each of the bits at a position corresponding to the attribute type. 1. An information processing program according to 1. In the computer,
2. A process of changing a value of a bit at a predetermined position different from a position corresponding to the specified attribute in a bit string indicating the specified pixel information to a predetermined value is executed. Or the information processing program of 2. In the computer,
Pixel information in which the value of the bit at the position corresponding to the attribute of the symbol is changed to the value of the bit indicating the attribute of the symbol, and the value of the bit at the predetermined position is changed to the predetermined value Including pixel information whose bit value at the predetermined position is the predetermined value from the image information of the structural formula,
In the bit string indicating the extracted pixel information, the attribute is specified based on the value of the bit at a position corresponding to the type of the attribute of the symbol.
The information processing program according to claim 3, wherein processing is executed. Computer
Obtaining structural information including an attribute of an atomic symbol indicating an atom included in a structural formula of a compound drawn in the drawing area and an attribute of a bond symbol indicating a bond between atoms included in the structural formula;
With reference to the acquired structural information, the attribute of either the atomic symbol or the bond symbol selected from the structural formula is specified,
With reference to the structure information, specify pixel information of any pixel in the pixel group representing the symbol included in the image information of the structural formula drawn on the drawing area,
Of the bit string indicating the pixel information of the specified pixel, the value of the bit at a position corresponding to the type of the specified attribute is changed to a value indicating the specified attribute.
An information processing method characterized by executing processing. An acquisition unit for acquiring structural information including an attribute of an atomic symbol indicating an atom included in a structural formula of a compound drawn in a drawing area and an attribute of a bond symbol indicating a bond between atoms included in the structural formula; ,
A first specifying unit that specifies an attribute of a symbol of either the atomic symbol or the bond symbol selected from the structural formula with reference to the structural information acquired by the acquiring unit;
A second specifying unit that specifies pixel information of any pixel in the pixel group representing the symbol included in the image information of the structural formula drawn on the drawing area with reference to the structure information; ,
Of the bit string indicating the pixel information of the pixel specified by the second specifying unit, the value of the bit at the position corresponding to the type of the attribute specified by the first specifying unit is set as the first value. A changing unit for changing the value to the value specified by the specifying unit;
An information processing apparatus comprising:

Images